N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine

C16H23N3O — CID 80702164

IUPACN-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)Cc1coc2ccccc12
InChIInChI=1S/C16H23N3O/c1-18(10-11-19-8-6-17-7-9-19)12-14-13-20-16-5-3-2-4-15(14)16/h2-5,13,17H,6-12H2,1H3
InChIKeyHYULEJPNTURKBI-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.77
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine

N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine (PubChem CID 80702164) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
PubChem CID80702164
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
SMILESCN(CCN1CCNCC1)Cc1coc2ccccc12
InChIInChI=1S/C16H23N3O/c1-18(10-11-19-8-6-17-7-9-19)12-14-13-20-16-5-3-2-4-15(14)16/h2-5,13,17H,6-12H2,1H3
InChIKeyHYULEJPNTURKBI-UHFFFAOYSA-N
XLogP1.77
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 62833835
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722
2-(1,4-diazepan-1-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanamine
CID 55121020
N-methyl-2-piperazin-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66410620
N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
CID 176732018
N-methyl-2-piperazin-1-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 54945083
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 141098379
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 66158239

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine (CID 80702164) is N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine is CN(CCN1CCNCC1)Cc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
The InChIKey is HYULEJPNTURKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18(10-11-19-8-6-17-7-9-19)12-14-13-20-16-5-3-2-4-15(14)16/h2-5,13,17H,6-12H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine?
N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine has a molecular weight of 273.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 80702164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).